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Compound Detail

CHEMBL5184459

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Cn1cc(-c2ccc(=O)n(CC3CN(c4ncc(OCC5CCNCC5)cn4)CCO3)n2)cn1

Basic Information

ChEMBL ID CHEMBL5184459
Phase Preclinical
Structure Type MOL
InChI Key NHZVEUDKERINQO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
0.72
ALogP
11
HBA
1
HBD
112.2
PSA (Ų)
0.54
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N8O3
MW 466.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.73

Activity Summary

IC50 1 meas. best 10.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 10.72 10.72 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 0.019 nM 10.72 Inhibition of human recombinant c-MET in presence of ATP by HTRF assay 33129590

Literature References

PubMed DOI Target Context # Activities
33129590 10.1016/j.ejmech.2020.112946 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine